lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide

C50H58LiN9O15S3 — CID 167554639

About lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide

lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide (PubChem CID 167554639) has the molecular formula C50H58LiN9O15S3 and a molecular weight of 1128.20 g/mol. Its IUPAC name is lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide.

Molecular Properties

• Compound Name: lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide
• PubChem CID: 167554639
• Molecular Formula: C50H58LiN9O15S3
• Molecular Weight: 1128.20 g/mol
• Exact Mass: 1127.34
• IUPAC Name: lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide
• SMILES: CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1.CCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1.O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O.[Li+].[OH-]
• InChI: InChI=1S/C28H41N3O5S.C12H9N3O5S.C10H7N3O4S.Li.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(32)36-24-20-18-17-19-23(24)27(33)30-28-29-22-25(37-28)31(34)35;1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19;14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17;;/h17-20,22H,2-16,21H2,1H3,(H,29,30,33);2-6H,1H3,(H,13,14,17);1-5,14H,(H,11,12,15);;1H2/q;;;+1;/p-1
• InChIKey: CVSUWTMSIQULRJ-UHFFFAOYSA-M
• XLogP: 9.54
• TPSA: 358.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1128.20
LogP ≤ 5	9.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide?

The IUPAC name of lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide (CID 167554639) is lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide.

What is the SMILES notation for lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide?

The canonical SMILES for lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide is CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1.CCCCCCCCCCCCCCCCCC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1.O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O.[Li+].[OH-].

What is the InChIKey of lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide?

The InChIKey is CVSUWTMSIQULRJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H41N3O5S.C12H9N3O5S.C10H7N3O4S.Li.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26(32)36-24-20-18-17-19-23(24)27(33)30-28-29-22-25(37-28)31(34)35;1-7(16)20-9-5-3-2-4-8(9)11(17)14-12-13-6-10(21-12)15(18)19;14-7-4-2-1-3-6(7)9(15)12-10-11-5-8(18-10)13(16)17;;/h17-20,22H,2-16,21H2,1H3,(H,29,30,33);2-6H,1H3,(H,13,14,17);1-5,14H,(H,11,12,15);;1H2/q;;;+1;/p-1.

What are the key properties of lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide?

lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide has a molecular weight of 1128.20 g/mol, XLogP of 9.54, 27 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate;[2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] octadecanoate;hydroxide is sourced from PubChem (CID 167554639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).